Siddheshwar Chopra
sidhusai@gmail.com
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
MORE INFORMATION::
** LOOKING UP INTERNALLY STORED DATA FOR SOLVENT=C2H5OH **
OPTICAL AND PHYSICAL CONSTANTS:
EPS= 24.550; EPSINF= 1.847; RSOLV= 2.180 A; VMOL= 58.700 ML/MOL;
TCE= .11030E-02 1/K; STEN= 21.890 DYN/CM; DSTEN= 1.1460; CMF= 1.5430
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INPUT FOR D-PCM SOLVATION CALCULATION
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ICOMP = 2 IFIELD= 0 ICAV = 0
IDISP = 0 IREP = 0 IDP = 0
SOLVNT=C2H5OH EPS = 24.5500 EPSINF= 1.8470
VMOL = 58.7000 TCE = 0.00110300 STEN = 21.8900
DSTEN = 1.1460 CMF = 1.5430 RSOLV = 2.1800
ICENT = 0 NESFP = 47
OMEGA = 40.0000 RET =100.0000 FRO = 0.7000
XCPCM = 0.0000 TABS =298.0000 IPRINT= 0
Please help me solve this issue.
Kind Regards,